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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 130619   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ketohexokinase


(Homo sapiens (Human))
BDBM130619
PNG
(US8822447, 99 | US9771375, Example 99)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(CO)c12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25N5O/c1-17-23-19(16-30)15-22(26-24(23)29(27-17)21-5-3-2-4-6-21)18-7-9-20(10-8-18)28-13-11-25-12-14-28/h2-10,15,25,30H,11-14,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 600n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US9771375 (2017)

More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))
BDBM130619
PNG
(US8822447, 99 | US9771375, Example 99)
Show SMILES Cc1nn(-c2ccccc2)c2nc(cc(CO)c12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H25N5O/c1-17-23-19(16-30)15-22(26-24(23)29(27-17)21-5-3-2-4-6-21)18-7-9-20(10-8-18)28-13-11-25-12-14-28/h2-10,15,25,30H,11-14,16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 600n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...


US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair